Methylthiol butanoate

ScientificNameLabel

Methylthiol butanoate
PHCD compound ID :	2373
Chemical Names :	Methylthiol butanoate
Molecular Formula :	C5H10O1S1
Molecular Weight :	118.045236

More Details :

Names & Synonyms:	S-methyl butanethioate , butanethioic acid S-methyl ester
Smiles:	CCCC(=O)SC
InChi :	InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChi Key :	InChIKey=GRLJIIJNZJVMGP-UHFFFAOYSA-N
PubChem ID :	62444

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.152075
Hydrogen bond donor count :	0	Electric dipole moment :	1.084
XLogP :	1.523	VDW volume :	119.699174
Molecular weight :	118.045236	HOMO-LUMO gap :	8.711000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'

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